SCHEMBL4019795

SCHEMBL4019795

CNCc1ccccc1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK8 P45983 2/20 0.43
PARP1 P09874 5/20 0.43
METAP2 P50579 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PARP3 Q9Y6F1 1/20 0.42
BCAT2 O15382 1/20 0.41
CD38 P28907 2/20 0.41
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
BRD4 O60885 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11865177 0.85 HPGD (0.42) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL3130427 0.82 HIF1A (0.54) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL14429809 0.82 HPGD (0.43) HPGDKDM4EALDH1A1MAPTBCAT2
Dimethylamine SCHEMBL27639205 0.82 MAPT (0.47) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL4422142 0.82 NPC1 (0.46) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL28984805 0.81 SETDB1 (0.49) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL4563077 0.81 TAAR1 (0.50) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL7134588 0.81 TSHR (0.54) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL19091144 0.81 HPGD (0.45) HPGDKDM4EALDH1A1MAPTTSHR
SCHEMBL8339183 0.81 GAA (0.53) HPGDKDM4EALDH1A1BCAT2BRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-2990401-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MASS SPECTROMETRY SIGNALS Waters Technologies Corporation (US) 2016-03-02 EP disclosed
CN-104418822-A Compound with xanthine oxidase inhibition activity, and use thereof NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD 2015-03-18 CN disclosed
EP-2723745-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Inc. (US) 2014-04-30 EP disclosed
WO-2012178123-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-27 WO disclosed
EP-1789067-B8 Use of growth hormone secretagogues for stimulating the motility of the gastrointestinal system HELSINN HEALTHCARE SA (CH) 2012-08-15 EP disclosed
EP-2134341-A2 METHOD OF TREATING CELL PROLIFERATIVE DISORDERS USING GROWTH HORMONE SECRETAGOGUES Helsinn Therapeutics (U.S.), Inc. (US) 2009-12-23 EP disclosed
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-05-28 US disclosed
US-7479493-B2 Substituted benzyl amine compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-20 US disclosed
WO-2008100448-A2 METHOD OF TREATING CELL PROLIFERATIVE DISORDERS USING GROWTH HORMONE SECRETAGOGUES HELSINN THERAPEUTICS (U.S.), INC. (US) 2008-08-21 WO disclosed
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-21 US disclosed
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1789067-A2 METHOD OF STIMULATING THE MOTILITY OF THE GASTROINTESTINAL SYSTEM USING GROWTH HORMONE SECRETAGOGUES Sapphire Therapeutics, Inc. (US) 2007-05-30 EP disclosed
WO-2006020930-A2 METHOD OF STIMULATING THE MOTILITY OF THE GASTROINTESTINAL SYSTEM USING GROWTH HORMONE SECRETAGOGUES SAPPHIRE THERAPEUTICS, INC. (US) 2006-02-23 WO disclosed
WO-2005090353-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2005-09-29 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 HPGD 3618/4885KDM4E 1641/4885ALDH1A1 4446/4885
US-20070167485-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as pde4 inhibitors PDE3B, PDE3A, PDE4A HPGD 386/4885KDM4E 411/4885ALDH1A1 2298/4885
US-20080045509-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HPGD 1004/4885KDM4E 1790/4885ALDH1A1 1869/4885
US-20090137562-A1 SUBSTITUTED BENZYL AMINE COMPOUNDS HRH3, HNMT, HRH4 HPGD 1004/4885KDM4E 1790/4885ALDH1A1 1869/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.